Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a41e343dfa469786d2ff86b0c974fb2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.795,
"b": 27.202,
"c": 55.760,
"alpha": 90.00,
"beta": 99.93,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.100,1.240],
"number_observations": 80456,
"number_observations_unique": 30622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.240],
"number_observations": 2946,
"number_observations_unique": 2425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.849
},
{
"type": "R(meas)",
"value": 1.168
},
{
"type": "R(pim)",
"value": 0.797
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 49.300
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [30.100,3.930],
"number_observations": 3680,
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 30.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}